CAS 126-30-7 manufacturers and suppliers on PharmaCompass

CAS 126-30-7

With Fermion, start the journey of your innovative API.

Virtual Booth

Contact Supplier

Suanfarma, at the Core of a Better Life.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 1 Related Intermediates

1 Suppliers
1 End Use APIs
1 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 126-30-7, 2,2-dimethylpropane-1,3-diol, 2,2-dimethyl-1,3-propanediol, Dimethylolpropane, 1,3-propanediol, 2,2-dimethyl-, Neopentanediol

Molecular Formula

C₅H₁₂O₂

Molecular Weight

104.15 g/mol

InChI Key

SLCVBVWXLSEKPL-UHFFFAOYSA-N

FDA UNII

QI80HXD6S5

1 2D Structure

CAS 126-30-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,2-dimethylpropane-1,3-diol

2.1.2 InChI

InChI=1S/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3

2.1.3 InChI Key

SLCVBVWXLSEKPL-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

QI80HXD6S5

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2,2-dimethyl-1,3-propanediol

2.3.2 Depositor-Supplied Synonyms

1. 126-30-7

2. 2,2-dimethylpropane-1,3-diol

3. 2,2-dimethyl-1,3-propanediol

4. Dimethylolpropane

5. 1,3-propanediol, 2,2-dimethyl-

6. Neopentanediol

7. Neopentylene Glycol

8. Neopentylglycol

9. Neol

10. Dimethyltrimethylene Glycol

11. Hydroxypivalyl Alcohol

12. 2,2-dimethyltrimethylene Glycol

13. Nexcoat 600

14. 2,2-dimethyl-1,3 Propanediol

15. Qi80hxd6s5

16. Dtxsid8027036

17. Oristar Npg

18. Nsc-6366

19. 1,3-dihydroxy-2,2-dimethylpropane

20. Nsc-55836

21. Neopentylglycol Ecailles

22. Dtxcid007036

23. Chebi:143768

24. Dimethylol Propane

25. Refchem:165329

26. 204-781-0

27. Npg Glycol

28. Mfcd00004685

29. Nsc 55836

30. 2,2-dimethyl-1,3-propandiol

31. 2,3 Propanediol

32. Wln: Q1x1 & 1 & 1q

33. 77498-68-1

34. Cas-126-30-7

35. Ccris 3273

36. Einecs 204-781-0

37. Propanediol, 2,2-dimethyl-, 1,3-

38. Unii-qi80hxd6s5

39. Brn 0605291

40. 2,2-bis(hydroxymethyl)propane

41. Ai3-05739

42. Neopentyl Glycolnpg

43. 2,2-dimethylolpropane

44. Ec 204-781-0

45. Schembl19621

46. Cbdive_004836

47. 4-01-00-02551 (beilstein Handbook Reference)

48. Neopentyl Glycol [mi]

49. Schembl333642

50. 2,2-dimethylpropan-1,3-diol

51. Orb3023454

52. Schembl1032719

53. Schembl1099338

54. Schembl1436764

55. Schembl2226249

56. Schembl7969066

57. 2,2-dimethyl 1,3-propanediol

58. 2.2-dimethyl-1,3-propanediol

59. 2,3-dimethyl-1,3-propanediol

60. Chembl3184801

61. Hsdb 8424

62. 2,2-dimethyl -1,3-propanediol

63. 2,2-dimethyl-1,3-propane Diol

64. 2,2-dimethyl-propane-1,3-diol

65. Nsc6366

66. Msk14152

67. Nsc55836

68. 2,2-dihydroxy-2,2-dimethylpropane

69. 2,2-dimethyl-1,3-dihydroxypropane

70. Tox21_201363

71. Tox21_303298

72. Sbb056814

73. Akos005068060

74. Msk14152-100m

75. Cs-w011300

76. Fd54856

77. Msk14152-1000m

78. 2,2-dimethyl-1,3-propanediol, 99%

79. Ncgc00249034-01

80. Ncgc00256980-01

81. Ncgc00258915-01

82. As-13611

83. Dimethyl-1,3-propanediol, 2,2-

84. D0791

85. Ns00003307

86. St50982294

87. En300-30502

88. D71071

89. F235831

90. Q413855

91. F0001-0385

92. 2,2-dimethyl-1,3-propanediol Solution In Methanol, 1000ug/ml

93. 2,2-dimethyl-1,3-propanediol Solution In Methanol, 100ug/ml

94. Inchi=1/c5h12o2/c1-5(2,3-6)4-7/h6-7h,3-4h2,1-2h

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₅H₁₂O₂
Molecular Weight	104.15 g/mol
XLogP3	0
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	40.5
Heavy Atom Count	7
Formal Charge	0
Complexity	44
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 Absorption, Distribution and Excretion

4 rabbits were gavaged with 1000 -1500 mg/kg bw unlabelled neopentyl glycol and excretion of the test substance and their metabolites via urine was determined the following 24 hr (pooled data). After oral application 62% (range 53-67%) of the applied dose was found in the 24-hr urine as the conjugate of glucuronic acid indicating rapid absorption. Only 1.9% of the applied dose was excreted as 3-hydroxy-2,2-dimethylpropionic acid and 0.7% as unchanged neopentyl glycol. Conclusion: Rapid absorption of the test substance after oral exposure followed by conjugation with glucuronic acid and excretion via urine.

ECHA; Registration for 2,2-dimethylpropane-1,3-diol (CAS 126-30-7); Available from, as of June 21, 2018: https://echa.europa.eu/registration-dossier/-/registered-dossier/15079

4.2 Metabolism/Metabolites

ECHA; Registration for 2,2-dimethylpropane-1,3-diol (CAS 126-30-7); Available from, as of June 21, 2018: https://echa.europa.eu/registration-dossier/-/registered-dossier/15079

BUILDING BLOCK

Upload your portfolio for free, ask us

SUPPLIERS

Only 10 entries up to this point, click to access all

END USE APIs

Privacy policy
Terms and conditions
Disclaimers
Product listings are provided for informational purposes only. We do not supply or sell any products. Any products that may be covered by patent(s) are supplied solely for uses permitted under Section 107A of the Indian Patents Act and not for commercial sale.